SCHEMBL3168253

SCHEMBL3168253

C#CC(NCC(=O)O)C(=O)OCC=C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
CASP1 P29466 4/20 0.32
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3160752 0.84 ALDH1A1 (0.36) MAPTCACNA1BAPBA1TDP1
SCHEMBL3176227 0.82 SMN1; SMN2 (0.37) MAPTTDP1
SCHEMBL3176183 0.82 TDP1 (0.36) TDP1
SCHEMBL3177434 0.80 TSHR (0.38) MAPTCYP3A4TDP1
SCHEMBL3177194 0.73 MEN1 (0.33)
SCHEMBL3161545 0.73 MEN1 (0.33)
SCHEMBL16967740 0.73 MEN1 (0.33)
SCHEMBL468462 0.70 CTH (0.34) MAPTTDP1
SCHEMBL1288180 0.67
SCHEMBL4680857 0.66 CASP1 (0.45) MAPTCACNA1BAPBA1CASP1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645607-B2 Method for producing optically active N-protected-propargylglycine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-12 US disclosed
EP-1705252-B1 Method for producing optically active N-protected-propargylglycine SUMITOMO CHEMICAL CO (JP) 2008-07-16 EP disclosed
US-20060216806-A1 Method for producing optically active N-protected-propargylglycine SUMITOMO CHEMICAL COMPANY, LIMITED 2006-09-28 US disclosed
EP-1705252-A1 Method for producing optically active N-protected-propargylglycine Sumitomo Chemical Company, Limited (JP) 2006-09-27 EP disclosed